• Bulletin of the Korean Chemical Society
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• 제25권1호
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• pp.69-72
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• 2004

The N-alkylation of 4-aminopyrimidine with a tetrahydro-3-aza-cyclopropa[c]inden-5-one, which is a model reaction of the pharmacophore of duocarmycins, was studied with a quantum chemical method. We consider two factors for the acceleration of the N-alkylation; distortion and protonation of the model pharmacophores. The distortion of the spirocyclopropyl moiety in the model spirocyclopropylcyclohexadienone could induce an intrinsic energy of 3-4 kcal/mol, but the protonation on the carbonyl oxygen of the model cyclohexadienone lowers the transition energy of the N-alkylation of 4-aminopyrimidine dramatically (~46 kcal/mol) and is considered to play a major role in the enzyme reaction. The distorted and protonated spirocyclohexadienone is exothermally relieved to a phenol with the heat of reaction of -37 kcal/mol. The protonation process is proposed to be the mode of action of duocarmycins in the DNA alkylation.

• Bulletin of the Korean Chemical Society
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• 제5권1호
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• pp.32-37
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• 1984

The photoreaction of 2, 3-benzo-1, 1-diphenyl (or dimethyl)-1-sila-2-cyclobutene (9 or 10) with an aldehyde or ketone results in 1:1 cycloadduct of [4 + 2] type. In the reactions of 2, 3-benzo-1, 1-dimethyl-1-sila-2-cyclobutene (10) with acetone and butanone, another 1:1 adducts (13) were also formed, respectively. The following facts indicate that the formation of adduct involves an attack of a triplet carbonyl compound on the silicon of the benzosilacyclobutene, an $S_H2$ process. (1) Even when the reaction of 9 with acetophenone was carried out under conditions such that more than 99% of incident light was absorbed only by acetophenone using the filter solution of aq. cupric sulfate, the same adduct was still formed. (2) When the reaction of 9 with acetone was carried out under oxygen atmosphere, only trace amount of adduct was formed.

• Korean Chemical Engineering Research
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• 제51권1호
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• pp.144-150
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• 2013

본 연구에서는 촉매로 zinc acetate를 사용하였고 dimethyl terephthalate(DMT)와 ethylene glycol(EG)의 에스테르 교환을 통하여 polyethylene terephthalate(PET)의 단량체인 bishydroxyethyl terephthalate(BHET)를 생성하는 반응에 대하여 알아보았다. 기존의 kinetics 연구는 에스테르 교환 반응에서 생성되는 메탄올이 반응계에서 제거되는 반회분식공정을 바탕으로 하여 이때 제거된 메탄올 양을 측정하여 역반응이 무시된 반응 kinetics 모델을 구성하였다. 본 연구에서는 회분식 반응기를 통하여 DMT와 메탄올의 양을 정량하여, 역반응을 고려한 보다 정확한 kinetics 모델을 제안하였고, 제안된 모델의 예측값들이 실험값들과 잘 일치하는 것을 보였다. 또한 모델과 실험값을 분석하여 여러 공정 변수들이 에스테르 교환 반응에 미치는 영향을 조사하였다.

• Bulletin of the Korean Chemical Society
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• 제35권9호
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• pp.2717-2722
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• 2014

The reaction mechanism between azacyclopropenylidene and epoxypropane has been systematically investigated employing the second-order M${\o}$ller-Plesset perturbation theory (MP2) method to better understand the reactivity of azacyclopropenylidene with four-membered ring compound epoxypropane. Geometry optimization, vibrational analysis, and energy property for the involved stationary points on the potential energy surface have been calculated. It was found that for the first step of this reaction, azacyclopropenylidene can insert into epoxypropane at its C-O or C-C bond to form spiro intermediate IM. It is easier for the azacyclopropenylidene to insert into the C-O bond than the C-C bond. Through the ring-opened step at the C-C bond of azacyclopropenylidene fragment, IM can transfer to product P1, which is named as pathway (1). On the other hand, through the H-transferred step and subsequent ring-opened step at the C-N bond of azacyclopropenylidene fragment, IM can convert to product P2, which is named as pathway (2). From the thermodynamics viewpoint, the P2 characterized by an allene is the dominating product. From the kinetic viewpoint, the pathway (1) of formation to P1 is primary.

• Korean Chemical Engineering Research
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• 제45권5호
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• pp.424-432
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• 2007

바이오디젤은 식물유지 및 동물유지와 같은 재생 가능한 자원으로부터 얻어지는 친환경 대체에너지로서 주목받고 있다. 바이오디젤은 식물유지 또는 동물성 지방으로부터 얻어지는 긴사슬 지방산의 모노알킬에스터이다. 본 총설에서는 (1) 바이오디젤을 얻기위한 전이에스테로화 반응에 대한 촉매의 타입, 자유지방산 및 수분, 알콜과 유지의 반응비, 알콜타입, 반응온도 및 시간과 교반강도의 영향, (2) 전이에스테르화 이후의 바이오디젤에 대한 분리공정, 그리고 (3) 대체에너지로서 바이오디젤의 내연기관 적합성을 바이오디젤의 물성에 기초하여 소개한다.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 1997년도 추계학술대회 논문집
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• pp.907-910
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• 1997

With increasing the needs for micro and precision parts, micro machining technology has been studied to fabricate a small part with high density such as electronics, optics, communications, and medicine industry more than before. But there are many problems to be solved requiring a high-level technology. So this research presents the new method to fabricate a small part through applying chemical mechanical micro machining (C3M) for the Al wafer. Al(thickness I ,u m) was sputtered on the Si substrate. Al is widely used as a lightweight material. However form defect such as burr has a bad effect on products. To improve machinability of ductile material, oxide layer was formed on the surface of AI wafcr before grooving by chemical reaction with HN03(10wt%). And then workpieces were machined to compare conventional micro-machining process with newly suggested method at different machining condition such as load and feed rate. To evaluate whether or not the machinability was improved by the effect of chemical condition, such as the size, the width of grooves 'and burr generation were measured. Finally, it is confirmed that C3M is one of the feasible tools for micro machining with the aid of effect of the chemical reaction.

• Korean Chemical Engineering Research
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• 제56권5호
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• pp.773-778
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• 2018

In-situ transesterification of microalgae lipids using microwave irradiation has potential to simplify and accelerate biodiesel production, as it minimizes production cost and reaction time by direct transesterification of microalgae into biodiesel with microwave as a heating source. This study was conducted to research the effect of microwave irradiation with in-situ transesterification of microalgae under base catalyst condition. The process variables (reaction time, solvent ratio, microwave power) were studied using 2% of catalyst concentration. The maximum yield of FAME was obtained at about 32.18% at the reaction time of 30 min with biomass-methanol ratio 1:12 (w/v) and microwave power of 450 W. The GC MS analysis obtained that the main component of FAME from microalgal oils (or lipids) was palmitic acid, stearic acid and oleic acid. The results show that microwaves can be used as a heating source to synthesize biodiesel from microalgae in terms of major components resulting.

• Transactions on Electrical and Electronic Materials
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• 제17권4호
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• pp.204-207
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• 2016

Experimental study of UV-irradiated O₂/H₂ gas phase cleaning for PMMA (Polymethylmethacrylate) removal is carried out in a load-locked reactor equipped with a UV lamp and PBN heater. UV enhanced O₂/H₂ gas phase cleaning removes polymethylmethacrylate (PMMA) better at lower process pressure with higher content of H₂. O₂ gas compete for UV (184.9 nm) absorption with PMMA producing O₃, O(¹D) and lower dissociation of PMMA. In our experimental conditions, etching reaction of PMMA at the substrate temperature between 75℃ and 125℃ had activation energy of about 5.86 kcal/mol indicating etching was controlled by surface reaction. Above the 180℃, PMMA removal was governed by a supply of reaction gas rather than by substrate temperature.

• Korean Chemical Engineering Research
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• 제61권2호
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• pp.265-272
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• 2023

목질계 바이오매스는 조성분간의 결합이 치밀하고 높은 함량의 리그닌을 포함하여 전처리 공정이 필수적이다. 전처리 용매 중 테트라하이드로퓨란(THF)은 유기용매로 재사용이 가능하다는 장점이 있다. THF는 가격이 저렴하고 다양한 반응 조건에서 선택적으로 리그닌을 제거하고 물 혹은 이온성 액체와 공용매로 사용된다. 수산화 나트륨(Sodium hydroxide)은 바이오매스 내 ether결합을 파괴하여 리그닌을 우선적으로 용해시키며 셀룰로오스와 헤미셀룰로오스의 표면적을 확장시키는 역할을 한다. 본 연구에서는 NaOH/THF 공용매 전처리 공정을 적용하여 효과적 리그닌을 제거를 위한 전처리 특성을 파악하고 후속 공정인 산촉매 전환 공정을 통해 최적의 레불린산 전환 수율을 얻었다. 전처리 공정은 NaOH/THF 공용매 비율을 16가지 부피 비율로 수행되었으며 반응조건은 180℃에서 60분으로 고정하였다. 최적의 공용매 조건은 NaOH(5 wt%)/THF 공용매 90:10(v/v%)이였으며 76.8% 글루칸을 수득과 함께 90.1%의 리그닌을 제거하였다. 전처리 후속 공정인 산촉매 전환 공정은 반응시간 30~90분, 반응온도 160~200 ℃로 수행하였을 때, 산촉매 전환 공정의 최적 조건은 180 ℃에서 반응시간 60분이었며, 이 때의 레불린산 전환수율은 84.7%이다.

• Biotechnology and Bioprocess Engineering:BBE
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• 제1권1호
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• pp.1-8
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• 1996

Fermentation processes for the production of butanol had an economic importance in the first part of this century. Today butanol is commercially produced from the Oxo reaction of propylene because relatively low priced propylene during the cracking of petroleum. Efforts have been made during the past decade or two to improve the productivity of butanol fermentation processes. It includes strain improvements, continuous fermentation processes, cell immobilization and simultaneous product separation. This review introduces a new butanol fermentation process using pervaporative product separation and a new bacterial strain producing less amount of organic acids. This review also compares the new process with chemical processes. This kind of new fermentation process may be able to compete with the chemical synthesis of butanol and revitalize the butanol fermentation process.